Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50318569'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50318569 (2-(4-(6-Cyano-2-(4-(dimethylamino)phenyl)-3H-imida...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C#N)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C24H25N9OS/c1-31(2)18-5-3-16(4-6-18)22-29-20-21(17(13-25)14-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12,14H,8-11,15H2,1-2H3,(H,26,28,34)(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318569 (2-(4-(6-Cyano-2-(4-(dimethylamino)phenyl)-3H-imida...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C#N)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1 Show InChI InChI=1S/C24H25N9OS/c1-31(2)18-5-3-16(4-6-18)22-29-20-21(17(13-25)14-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12,14H,8-11,15H2,1-2H3,(H,26,28,34)(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Aurora A				Eur J Med Chem 46: 77-94 (2010) Article DOI: 10.1016/j.ejmech.2010.10.017 BindingDB Entry DOI: 10.7270/Q25X296N
					More data for this Ligand-Target Pair